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View Code? Open in Web Editor NEWxtal is an umbrella package for various tools used to manipulate atomic trajectories
License: MIT License
xtal is an umbrella package for various tools used to manipulate atomic trajectories
License: MIT License
The current method simply loops over the snapshot method. This has the overhead of constantly opening and closing the file.
Should ideally read and store all fields in any order specified in the dump file. This will require a lot of testing
Should be straightforward. Can base it off of the existing read_vasp method
@nbaradwaj91 may be interested
Split them using an argument in the identical_sort
method call
Cloned xtal breaks because progressbar is not a commonly installed package. It doesn't add much value to xtal anyway
ID, type, x, y, z, xs, ys, zs, vx, vy, vz are all straightforward
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